Information card for entry 1548066

Structure parameters

• Formula: C16 H39 Al2 Cl10 Mg2 O8
• Calculated formula: C16 H39 Al2 Cl10 Mg2 O8
• SMILES: [Cl]1[Mg]23([Cl][Mg]451([O](CC[O]4C)C)[O](C)CC[O]5C)([O](C)CC[O]3C)[O](C)CC[O]2C.Cl[Al](Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery
• Authors of publication: Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei
• Journal of publication: Energy & Environmental Science
• Year of publication: 2017
• a: 26.533 ± 0.005 Å
• b: 7.3366 ± 0.0014 Å
• c: 19.239 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3745.1 ± 1.3 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175.01 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2926
• Weighted residual factors for all reflections included in the refinement: 0.3032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No